ChemDB: Chemical Search
Download
Chemical ID: 7086282
Chemical ID:
7086282
Name [?]:
N-[(3-chlorophenyl)methyl]-3-methoxy-propan-1-amine
SMILES [?]:
COCCCNCc1cccc(c1)Cl
InChi [?]:
InChI=1/C11H16ClNO/c1-14-7-3-6-13-9-10-4-2-5-11(12)8-10/h2,4-5,8,13H,3,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,4,9,11,5,3,13,7,8,12,14,6,2/rA:14nCOCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO |
All Atoms: | 30 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88045 |
Area: | 425.497 |
Solvation: | -2.75698 |
Coulombic: | -18.1781 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.32 |
LogP (Chemaxon): | 1.98 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|